Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

Alexey Savelyev, Garegin A. Papoian

Research output: Contribution to journalArticlepeer-review

Abstract

Electrostatic repulsion between two DNA molecules, computed from explicit water-free energy simulations, is screened stronger by Na+ counterions than K+ counterions. An effective electrostatic potential was constructed for a coarse-grained model, where each base pair is represented by a bead.

Original languageEnglish
Pages (from-to)6060-6061
Number of pages2
JournalJournal of the American Chemical Society
Volume129
Issue number19
DOIs
StatePublished - May 16 2007

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